6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane

C16H31N3 — CID 171445186

IUPAC6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane
SMILESCC(C)(C)N1CC(N2CC3CC(C2)N3C(C)(C)C)C1
InChIInChI=1S/C16H31N3/c1-15(2,3)18-10-14(11-18)17-8-12-7-13(9-17)19(12)16(4,5)6/h12-14H,7-11H2,1-6H3
InChIKeyRTGSCNFREYEOMA-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.03
Rot. Bonds1

About 6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane

6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 171445186) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane
PubChem CID171445186
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane
SMILESCC(C)(C)N1CC(N2CC3CC(C2)N3C(C)(C)C)C1
InChIInChI=1S/C16H31N3/c1-15(2,3)18-10-14(11-18)17-8-12-7-13(9-17)19(12)16(4,5)6/h12-14H,7-11H2,1-6H3
InChIKeyRTGSCNFREYEOMA-UHFFFAOYSA-N
XLogP2.03
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane (CID 171445186) is 6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane is CC(C)(C)N1CC(N2CC3CC(C2)N3C(C)(C)C)C1.
What is the InChIKey of 6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is RTGSCNFREYEOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-15(2,3)18-10-14(11-18)17-8-12-7-13(9-17)19(12)16(4,5)6/h12-14H,7-11H2,1-6H3.
What are the key properties of 6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane?
6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 265.44 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 171445186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).